Browse
Submit Data
Databases
API
Help

Dataset Information

13 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-(4-Chloro-phen-yl)-N-(3,4-di-fluoro-phen-yl)acetamide.

ABSTRACT: In the title compound, C14H10ClF2NO, the dihedral angle between the mean planes of the 4-chloro-phenyl and 3,4-di-fluoro-phenyl rings is 65.2?(1)°. These two planes are twisted by 83.5?(5) and 38.9?(9)°, respectively, from that of the acetamide group. In the crystal, N-H?O hydrogen bonds form infinite chains along [100]. Weak C-H?O and C-H?F inter-actions are also observed and stack mol-ecules along the b axis.

SUBMITTER: Praveen AS

PROVIDER: S-EPMC3685127 | biostudies-other | 2013 Jun

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

2-(4-Chloro-phen-yl)-N-(3,4-di-fluoro-phen-yl)acetamide.

Praveen A S AS Yathirajan H S HS Jasinski Jerry P JP Keeley Amanda C AC Narayana B B Sarojini B K BK

Acta crystallographica. Section E, Structure reports online 20130531 Pt 6

In the title compound, C14H10ClF2NO, the dihedral angle between the mean planes of the 4-chloro-phenyl and 3,4-di-fluoro-phenyl rings is 65.2 (1)°. These two planes are twisted by 83.5 (5) and 38.9 (9)°, respectively, from that of the acetamide group. In the crystal, N-H⋯O hydrogen bonds form infinite chains along [100]. Weak C-H⋯O and C-H⋯F inter-actions are also observed and stack mol-ecules along the b axis. ...[more]

PMID: 23795146

Similar Datasets

2-(4-Bromo-phen-yl)-N-(3,4-di-fluoro-phen-yl)acetamide.

Project description:In the title compound, C14H10BrF2NO, the dihedral angle between the mean planes of the 4-bromo-phenyl and 3,4-di-fluoro-phenyl rings is 66.4?(1)°. These two planes are twisted by 40.0?(5) and 86.3?(2)°, respectively, from that of the acetamide group. In the crystal, N-H?O hydrogen bonds and weak C-H?O and C-H?F inter-actions form infinite chains along [100].

| S-EPMC3685057 | biostudies-literature

2-Chloro-N-(3,4-dimethyl-phen-yl)acetamide.

Project description:The conformation of the C=O bond in the structure of the title compound, C(10)H(12)ClNO, is anti to the N-H bond and to the methyl-ene H atoms in the side chain in both the independent mol-ecules comprising the asymmetric unit. However, the conformation of the N-H bond is syn to the meta-methyl substituent in the aromatic ring of one of the mol-ecules and anti in the other mol-ecule. The two independent mol-ecules are linked through inter-molecular N-H?O hydrogen bonding into chains parallel to the b axis.

| S-EPMC2977707 | biostudies-literature

N-(3-Chloro-4-fluoro-phen-yl)acetamide.

Project description:In the title compound, C(8)H(7)ClFNO, the dihedral angle between the benzene ring and the acetamide side chain is 5.47?(6)°. An S(6) ring motif is formed via an intra-molecular C-H?O hydrogen bond. In the crystal, N-H?O hydrogen bonds link the mol-ecules into C(4) chains along [001].

| S-EPMC3344482 | biostudies-literature

2-Chloro-N-(4-fluoro-phen-yl)acetamide.

Project description:In the title compound, C(8)H(7)ClFNO, an intra-molecular C-H?O hydrogen bond forms a six-membered ring. In the crystal structure, mol-ecules are linked by inter-molecular N-H?O hydrogen bonds, forming infinite chains along the c axis.

| S-EPMC2961718 | biostudies-literature

2-(4-Bromo-phen-yl)-N-(3-chloro-4-fluoro-phen-yl)acetamide.

Project description:In the title compound, C(14)H(10)BrClFNO, the benzene rings form a dihedral angle of 64.0?(2)°. In the crystal, mol-ecules are linked via inter-molecular N-H?O, C-H?O, C-H?Cl and C-H?F hydrogen bonds into layers parallel to (001). The crystal was refined as a merohedral twin with a 0.935?(114):0.065?(14) domain ratio.

| S-EPMC3415000 | biostudies-literature

2-(3,4-Di-fluoro-phen-yl)-1H-benzimidazole.

Project description:In the title mol-ecule, C13H8F2N2, the dihedral angle between the benzimidazole ring system and the di-fluoro-substituted benzene ring is 30.0?(1)°. In the crystal, mol-ecules are linked by N-H?N hydrogen bonds, forming chains along [010]. In addition, weak C-H?F hydrogen bonds connect chains into a two-dimensional network parallel to (001). A weak C-H?? inter-action is observed between an H atom of the benzimidazole ring sytem and the ? system of the di-fluoro-substituted benzene ring.

| S-EPMC3884342 | biostudies-literature

N-(3-Chloro-4-fluoro-phen-yl)-2-(naphthalen-1-yl)acetamide.

Project description:In the title compound, C(18)H(13)ClFNO, the dihedral angle between the mean planes of the chloro- and fluoro-substituted benzene ring and the naphthalene ring system is 60.5 (8)°. In the crystal, mol-ecules are linked by N-H⋯O hydrogen bonds, forming a zigzag chain along [101].

| S-EPMC3151961 | biostudies-literature

(E)-3-(3,4-Di-fluoro-phen-yl)-1-(3,4-di-meth-oxy-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C17H14F2O3, the dihedral angle between the benzene rings is 20.56 (8)° and the H atoms at the central propenone group are trans configured. One of the F atoms is disordered over two positions (occupancy ratio 0.57:0.43) and was refined using a split model. In the crystal, the molecules are linked into centrosymmetrical dimers and are further connected into a three-dimensional network via weak C-H⋯O interactions.

| S-EPMC3685099 | biostudies-literature

Crystal structure of 2-chloro-N-(3-fluoro-phen-yl)acetamide.

Project description:In the title compound, C8H7ClFNO, the F atom is disordred over the meta positions of the benzene ring in a 0.574?(4):0.426?(4) ratio and the Cl atom is syn to the O atom [O-C-C-Cl = 5.6?(3)°]. A short intra-molecular C-H?O contact occurs. In the crystal, mol-ecules are linked into amide C(4) chains propagating in [101] by N-H?O hydrogen bonds.

| S-EPMC4420121 | biostudies-literature

2-(3-Chloro-4-hydroxy-phen-yl)-N-(3,4-dimethoxy-pheneth-yl)acetamide.

Project description:The title compound, C(18)H(20)ClNO(4), was synthesized during the generation of a combinatorial library based on the fungal natural product 3-chloro-4-hydroxy-phenyl-acetamide. It crystallizes as discrete mol-ecules linked by inter-molecular C(9) chains of N-H?O and O-H?O hydrogen bonds which in turn combine to form chains of R(2) (2)(20) rings.

| S-EPMC2961350 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data